loading...| Preferred Name |
toremifene |
|
| Synonyms |
2-{4-[(1Z)-4-chloro-1,2-diphenylbut-1-en-1-yl]phenoxy}-N,N-dimethylethanamine toremifeno toremifene toremifenum |
|
| ID |
http://purl.obolibrary.org/obo/CHEBI_9635 |
|
| charge |
0 |
|
| database_cross_reference |
KEGG:C08166 DrugBank:DB00539 Drug_Central:2709 Patent:EP95875 KEGG:D08620 Wikipedia:Toremifene Patent:US4696949 CAS:89778-26-7 |
|
| formula |
C26H28ClNO |
|
| has exact synonym |
2-{4-[(1Z)-4-chloro-1,2-diphenylbut-1-en-1-yl]phenoxy}-N,N-dimethylethanamine |
|
| has parent hydride | ||
| has role |
http://purl.obolibrary.org/obo/CHEBI_35610 http://purl.obolibrary.org/obo/CHEBI_50739 |
|
| has_obo_namespace |
chebi_ontology |
|
| has_related_synonym |
toremifeno toremifene toremifenum |
|
| id |
CHEBI:9635 |
|
| in_subset | ||
| inchi |
InChI=1S/C26H28ClNO/c1-28(2)19-20-29-24-15-13-23(14-16-24)26(22-11-7-4-8-12-22)25(17-18-27)21-9-5-3-6-10-21/h3-16H,17-20H2,1-2H3/b26-25- |
|
| inchikey |
XFCLJVABOIYOMF-QPLCGJKRSA-N |
|
| label |
toremifene |
|
| mass |
405.95936 |
|
| monoisotopicmass |
405.18594 |
|
| notation |
CHEBI:9635 |
|
| prefLabel |
toremifene |
|
| smiles |
CN(C)CCOc1ccc(cc1)C(\c1ccccc1)=C(\CCCl)c1ccccc1 |
|
| subClassOf |
http://purl.obolibrary.org/obo/CHEBI_35618 |